Information card for entry 2013326

Structure parameters

• Formula: C7 H17 N O7 P2
• Calculated formula: C7 H17 N O7 P2
• Title of publication: Head-to-head dimers in the zwitterion of 1-hydroxy-3-(pyrrolidin-1-yl)propylidene-1,1-bisphosphonic acid (EB 1053)
• Authors of publication: Fernández, Daniel; Vega, Daniel
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: o228 - o230
• a: 9.9208 ± 0.0016 Å
• b: 10.7754 ± 0.0019 Å
• c: 11.4933 ± 0.0017 Å
• α: 90°
• β: 106.439 ± 0.011°
• γ: 90°
• Cell volume: 1178.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes